(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-butylcarbamimidothioate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea CAS Name: N'-butylcarbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-butylcarbamimidothioate Traditional Name: 3-butyl-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea Formula: C14H19ClN2O2S MolecularWeight: 314.83086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCC1=C2C(=CC(=C1)Cl)COCO2

Isomeric SMILES

CCCCN=C(N)SCC1=C2C(=CC(=C1)Cl)COCO2

InChI

InChI=1S/C14H19ClN2O2S/c1-2-3-4-17-14(16)20-8-11-6-12(15)5-10-7-18-9-19-13(10)11/h5-6H,2-4,7-9H2,1H3,(H2,16,17)